spg.py 文件源码

def get_op(self):
        """Returns all symmetry operations (including inversions and
        subtranslations), but unlike get_symop(), they are returned as
        two ndarrays."""
        if self.centrosymmetric:
            rot = np.tile(np.vstack((self.rotations, -self.rotations)), 
                          (self.nsubtrans, 1, 1))
            trans = np.tile(np.vstack((self.translations, -self.translations)),
                            (self.nsubtrans, 1))
            trans += np.repeat(self.subtrans, 2 * len(self.rotations), axis=0)
            trans = np.mod(trans, 1)
        else:
            rot = np.tile(self.rotations, (self.nsubtrans, 1, 1))
            trans = np.tile(self.translations, (self.nsubtrans, 1))
            trans += np.repeat(self.subtrans, len(self.rotations), axis=0)
            trans = np.mod(trans, 1)
        return rot, trans